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Compound Detail

CHEMBL365876

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Nc1ccc2cccc(O[C@@H]3CCN(Cc4ccccc4)C3)c2n1

Basic Information

ChEMBL ID CHEMBL365876
Phase Preclinical
Structure Type MOL
InChI Key RHJVYTFUGSPPAA-QGZVFWFLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.47
ALogP
4
HBA
1
HBD
51.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N3O
MW 319.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.71

Activity Summary

IC50 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 6.24 6.24 580.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15341944 10.1016/j.bmcl.2004.07.035 Melanin-concentrating hormone receptor 1 2

Data from ChEMBL 36 via Core Engine